6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide

C20H17F3N2O3 — CID 142578444

IUPAC6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide
SMILESCCCc1ccc(NC(=O)c2ccc3cc(C(N)=O)oc3c2)cc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c1-2-3-11-6-7-14(10-15(11)20(21,22)23)25-19(27)13-5-4-12-8-17(18(24)26)28-16(12)9-13/h4-10H,2-3H2,1H3,(H2,24,26)(H,25,27)
InChIKeyXDPIWFVZFPNWAJ-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.76
Rot. Bonds5

About 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide

6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide (PubChem CID 142578444) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide
PubChem CID142578444
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide
SMILESCCCc1ccc(NC(=O)c2ccc3cc(C(N)=O)oc3c2)cc1C(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c1-2-3-11-6-7-14(10-15(11)20(21,22)23)25-19(27)13-5-4-12-8-17(18(24)26)28-16(12)9-13/h4-10H,2-3H2,1H3,(H2,24,26)(H,25,27)
InChIKeyXDPIWFVZFPNWAJ-UHFFFAOYSA-N
XLogP4.76
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzyl 4-O-[[5-[6-[[4-propyl-3-(trifluoromethyl)phenyl]carbamoyl]-1-benzofuran-2-yl]tetrazol-2-yl]methyl] piperazine-1,4-dicarboxylate
CID 151962918
2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]benzamide
CID 118558238
6-[(3-chloro-5-methyl-4-propylphenyl)carbamoyl]-1-benzofuran-2-carboxylic acid
CID 142578525
4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-hydroxybenzamide
CID 135385738
3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 165142528
4-[(dimethylamino)methyl]-N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
CID 11719630
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
3-[4-butyl-3-(trifluoromethyl)phenyl]-1,1-dimethylurea
CID 154339066
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-[6-(2-oxopropyl)-3-pyridinyl]ethyl]-4-propylbenzamide;molecular hydrogen
CID 165142488
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 16745811
4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
[4-[(4-methyl-3-nitrobenzoyl)amino]-2-(trifluoromethyl)phenyl]methyl acetate
CID 67361230

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide?
The IUPAC name of 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide (CID 142578444) is 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide?
The canonical SMILES for 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide is CCCc1ccc(NC(=O)c2ccc3cc(C(N)=O)oc3c2)cc1C(F)(F)F.
What is the InChIKey of 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide?
The InChIKey is XDPIWFVZFPNWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-2-3-11-6-7-14(10-15(11)20(21,22)23)25-19(27)13-5-4-12-8-17(18(24)26)28-16(12)9-13/h4-10H,2-3H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide?
6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide has a molecular weight of 390.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-propyl-3-(trifluoromethyl)phenyl]-1-benzofuran-2,6-dicarboxamide is sourced from PubChem (CID 142578444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).